General Information of the Compound
| Compound ID |
CP0540430
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| Compound Name |
2-methoxy-5-[3-[(4-methylphenyl)carbamoylamino]-4-(2-propan-2-ylphenoxy)phenyl]benzoic acid
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| Structure |
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| Formula |
C31H30N2O5
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| Molecular Weight |
510.59
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| Canonical SMILES |
COc1ccc(cc1C(O)=O)-c1ccc(Oc2ccccc2C(C)C)c(NC(=O)Nc2ccc(C)cc2)c1
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| InChI |
InChI=1S/C31H30N2O5/c1-19(2)24-7-5-6-8-28(24)38-29-16-12-22(21-11-15-27(37-4)25(17-21)30(34)35)18-26(29)33-31(36)32-23-13-9-20(3)10-14-23/h5-19H,1-4H3,(H,34,35)(H2,32,33,36)
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| InChIKey |
PGRVQMQFSUHFPQ-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound